| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 15 | Yes |
Popular Name: 3-Piperazin-1-yl-1,2-benzisoxazole 3-Piperazin-1-yl-1,2-benzisoxazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 87691-89-2 , [87691-89-2]
3-(1-Piperazino)-1,2-benzisoxazole
3-(1-Piperazinyl)-1,2-benzisoxazole
3-(1-Piperazinyl)-1,2-benzisoxazole, 96%
3-(Piperazin-1-yl)-1,2-benzisoxazole
3-(Piperazin-1-yl)-1,2-benzisoxazole 95%
3-(Piperazin-1-yl)-1,2-benzisoxazole, 95%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.25 | 3.74 | -50.11 | 2 | 4 | 1 | 46 | 204.253 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 74-76? | Alfa-Aesar |
| Melting_Point | 74-76° | Alfa-Aesar |
| Purity | 95% | Matrix Scientific |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, s | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 165 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 165 | 0.63 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 165 | 0.63 | Binding ≤ 10μM |
